29
Coordinates from ORCA-job xbo
  N   1.54139036955291     -1.01165274857495      0.59892356279703
  H   1.73590257353517     -1.28795071742985      1.54670738481290
  C   0.26971269186151     -0.36319552940935      0.31285612459031
  H   0.03140356672019     -0.59195904202783     -0.72553121207553
  C   -0.79875508935031     -0.90640258592425      1.24489061606412
  H   -0.53264839155378     -0.64130473525861      2.26996722213509
  H   -0.81092756684477     -1.99434815619931      1.15895432982185
  C   -2.18532098140358     -0.34732362222854      0.95924057818192
  H   -2.90257163038417     -0.76801246803210      1.66445708573709
  H   -2.17918654856903      0.73546086137582      1.07296234340143
  S   -2.71020374406606     -0.77453334817876     -0.72575072915875
  C   -4.30224285794014      0.07657139222151     -0.70979125655873
  H   -4.76349529555788     -0.07639017993522     -1.68210112756922
  H   -4.16379669479353      1.14305763101739     -0.54598511878070
  H   -4.95240436755870     -0.33448834077037      0.05972323119706
  C   0.42866981813474      1.15473529932474      0.46591134545616
  O   0.05693948538968      1.75545964191751      1.47126526012608
  N   1.03215746074677      1.73558455808693     -0.59272681357361
  H   1.43856900178493      1.11077336731102     -1.27827851124729
  C   2.51782736253872     -1.12201446483023     -0.33613614068463
  O   2.38785521895679     -0.68277493661199     -1.47827008686070
  C   3.77092829935970     -1.83532154376711      0.10334773709520
  H   4.61908875659777     -1.17314800733802     -0.05189475949416
  H   3.91051669725202     -2.70597062415658     -0.53303033715447
  H   3.74431095876478     -2.15198511908548      1.14288001213282
  C   1.39295548948560      3.13641790882838     -0.57629920098713
  H   2.39786027452270      3.29376862860121     -0.18331804529422
  H   1.33890768392484      3.53899691201987     -1.58398283246816
  H   0.68921445889311      3.66040996905414      0.06288933835822
